4-(benzenesulfonamido)-2-chloro-N-[4-(phenylsulfamoyl)phenyl]benzamide

C25H20ClN3O5S2 — CID 99942022

IUPAC4-(benzenesulfonamido)-2-chloro-N-[4-(phenylsulfamoyl)phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C25H20ClN3O5S2/c26-24-17-20(29-35(31,32)21-9-5-2-6-10-21)13-16-23(24)25(30)27-18-11-14-22(15-12-18)36(33,34)28-19-7-3-1-4-8-19/h1-17,28-29H,(H,27,30)
InChIKeyJPKVOBYQHHNHJI-UHFFFAOYSA-N
MW542.04 g/mol
LogP5.19
Rot. Bonds8

About 4-(benzenesulfonamido)-2-chloro-N-[4-(phenylsulfamoyl)phenyl]benzamide

4-(benzenesulfonamido)-2-chloro-N-[4-(phenylsulfamoyl)phenyl]benzamide (PubChem CID 99942022) has the molecular formula C25H20ClN3O5S2 and a molecular weight of 542.04 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-2-chloro-N-[4-(phenylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name4-(benzenesulfonamido)-2-chloro-N-[4-(phenylsulfamoyl)phenyl]benzamide
PubChem CID99942022
Molecular FormulaC25H20ClN3O5S2
Molecular Weight542.04 g/mol
Exact Mass541.05
IUPAC Name4-(benzenesulfonamido)-2-chloro-N-[4-(phenylsulfamoyl)phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C25H20ClN3O5S2/c26-24-17-20(29-35(31,32)21-9-5-2-6-10-21)13-16-23(24)25(30)27-18-11-14-22(15-12-18)36(33,34)28-19-7-3-1-4-8-19/h1-17,28-29H,(H,27,30)
InChIKeyJPKVOBYQHHNHJI-UHFFFAOYSA-N
XLogP5.19
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.04
LogP ≤ 55.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(benzenesulfonamido)-2-chloro-N-(4-methylphenyl)benzamide
CID 43910172
N-[4-(benzenesulfonamido)phenyl]-2,4-dichlorobenzamide
CID 2311784
4-(benzenesulfonamido)-2-chloro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 92677411
4-(benzenesulfonamido)-2-chloro-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]benzamide
CID 99943737
5-(benzenesulfonamido)-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-chlorobenzamide
CID 46778728
2-chloro-4-(methanesulfonamido)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzamide
CID 92684011
2-chloro-5-[(4-methylphenyl)sulfonylamino]-N-phenylbenzamide
CID 92683065
4-(benzenesulfonamido)-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-2-chlorobenzamide
CID 43908153
4-(benzenesulfonamido)-2-chloro-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 99943631
4-(benzenesulfonamido)-2-chloro-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide
CID 43885917
4-(benzenesulfonamido)-2-chloro-N-(2-ethylphenyl)benzamide
CID 28632195
4-(benzenesulfonamido)-N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]benzamide
CID 126416723

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-2-chloro-N-[4-(phenylsulfamoyl)phenyl]benzamide?
The IUPAC name of 4-(benzenesulfonamido)-2-chloro-N-[4-(phenylsulfamoyl)phenyl]benzamide (CID 99942022) is 4-(benzenesulfonamido)-2-chloro-N-[4-(phenylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 4-(benzenesulfonamido)-2-chloro-N-[4-(phenylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 4-(benzenesulfonamido)-2-chloro-N-[4-(phenylsulfamoyl)phenyl]benzamide is O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl.
What is the InChIKey of 4-(benzenesulfonamido)-2-chloro-N-[4-(phenylsulfamoyl)phenyl]benzamide?
The InChIKey is JPKVOBYQHHNHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN3O5S2/c26-24-17-20(29-35(31,32)21-9-5-2-6-10-21)13-16-23(24)25(30)27-18-11-14-22(15-12-18)36(33,34)28-19-7-3-1-4-8-19/h1-17,28-29H,(H,27,30).
What are the key properties of 4-(benzenesulfonamido)-2-chloro-N-[4-(phenylsulfamoyl)phenyl]benzamide?
4-(benzenesulfonamido)-2-chloro-N-[4-(phenylsulfamoyl)phenyl]benzamide has a molecular weight of 542.04 g/mol, XLogP of 5.19, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamido)-2-chloro-N-[4-(phenylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 99942022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).